CID 643521

N-ethyl-2-methyl-4-nitroaniline

Structural Information

Molecular Formula
C9H12N2O2
SMILES
CCNC1=C(C=C(C=C1)[N+](=O)[O-])C
InChI
InChI=1S/C9H12N2O2/c1-3-10-9-5-4-8(11(12)13)6-7(9)2/h4-6,10H,3H2,1-2H3
InChIKey
AIZFIOAJOLYZST-UHFFFAOYSA-N
Compound name
N-ethyl-2-methyl-4-nitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.08987 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.09715 136.6
[M+Na]+ 203.07909 149.6
[M+NH4]+ 198.12369 145.1
[M+K]+ 219.05303 145.8
[M-H]- 179.08259 140.8
[M+Na-2H]- 201.06454 143.4
[M]+ 180.08932 139.5
[M]- 180.09042 139.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.